N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(phenylsulfonylamino)benzamide

Systemtic Name: N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(phenylsulfonylamino)benzamide Openeye Name: 3-(benzenesulfonamido)-N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 3-(benzenesulfonamido)-N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 3-(benzenesulfonamido)-N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 3-(benzenesulfonamido)-N-(5,6-dimethyl-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C25H21N3O3S2 MolecularWeight: 475.58254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=NC(=O)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC=C4)N2CC#C

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=NC(=O)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC=C4)N2CC#C

InChI

InChI=1S/C25H21N3O3S2/c1-4-13-28-22-14-17(2)18(3)15-23(22)32-25(28)26-24(29)19-9-8-10-20(16-19)27-33(30,31)21-11-6-5-7-12-21/h1,5-12,14-16,27H,13H2,2-3H3